4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-phenylimino-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-phenylimino-1,3-thiazol-4-yl]benzoic acid Openeye Name: 4-[3-[3-(tert-butoxycarbonylamino)propyl]-2-phenylimino-thiazol-4-yl]benzoic acid CAS Name: 4-[3-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-2-phenylimino-4-thiazolyl]benzoic acid IUPAC Name: 4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-phenylimino-1,3-thiazol-4-yl]benzoic acid Traditional Name: 4-[3-[3-(tert-butoxycarbonylamino)propyl]-2-phenylimino-4-thiazolin-4-yl]benzoic acid Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H27N3O4S/c1-24(2,3)31-23(30)25-14-7-15-27-20(17-10-12-18(13-11-17)21(28)29)16-32-22(27)26-19-8-5-4-6-9-19/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,25,30)(H,28,29)